Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
588988 | 2mn0 RC | 19873 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
set message=off echo=off end
!basepair NOE adapted from
!http://marinolab.umbi.umd.edu/Protocols/labdocs/packages/xplor.html
!A 3-U13
assign (resid 3 and name N1)
(resid 13 and name N3)
2.95 0.2 0.2
assign (resid 3 and name N6)
(resid 13 and name O4)
2.83 0.2 0.2
assign (resid 3 and name N1)
(resid 13 and name H3)
1.93 0.2 0.2
assign ((resid 3 and name H61) or (resid 3 and name H62))
(resid 13 and name O4)
1.82 0.2 0.2
!G 1-C15
assign (resid 1 and name H1)
(resid 15 and name N3)
1.89 0.2 0.2
assign (resid 1 and name N1)
(resid 15 and name N3)
2.91 0.2 0.2
assign ((resid 1 and name H22) or (resid 1 and name H21))
(resid 15 and name O2)
2.08 0.2 0.2
assign (resid 1 and name N2)
(resid 15 and name O2)
3.08 0.2 0.2
assign (resid 1 and name O6)
(resid 15 and name N4)
2.72 0.2 0.2
assign (resid 1 and name O6)
((resid 15 and name H42) or (resid 15 and name H41))
1.71 0.2 0.2
!G 2-C14
assign (resid 2 and name H1)
(resid 14 and name N3)
1.89 0.2 0.2
assign (resid 2 and name N1)
(resid 14 and name N3)
2.91 0.2 0.2
assign ((resid 2 and name H22) or (resid 2 and name H21))
(resid 14 and name O2)
2.08 0.2 0.2
assign (resid 2 and name N2)
(resid 14 and name O2)
3.08 0.2 0.2
assign (resid 2 and name O6)
(resid 14 and name N4)
2.72 0.2 0.2
assign (resid 2 and name O6)
((resid 14 and name H42) or (resid 14 and name H41))
1.71 0.2 0.2
!G 4-C12
assign (resid 4 and name H1)
(resid 12 and name N3)
1.89 0.2 0.2
assign (resid 4 and name N1)
(resid 12 and name N3)
2.91 0.2 0.2
assign ((resid 4 and name H22) or (resid 4 and name H21))
(resid 12 and name O2)
2.08 0.2 0.2
assign (resid 4 and name N2)
(resid 12 and name O2)
3.08 0.2 0.2
assign (resid 4 and name O6)
(resid 12 and name N4)
2.72 0.2 0.2
assign (resid 4 and name O6)
((resid 12 and name H42) or (resid 12 and name H41))
1.71 0.2 0.2
!NOE restraints from jr-noesy
!imino
assign (resid 13 and name H3) ( resid 13 and name H1') 5.0 1.0 1.0
assign (resid 13 and name H3) ( resid 14 and name H5 ) 5.0 1.0 1.0
assign (resid 13 and name H3) ( resid 3 and name H2 ) 3.5 0.7 0.7
assign (resid 4 and name H1) ( resid 13 and name H3 ) 5.0 1.0 1.0
assign (resid 2 and name H1) ( resid 13 and name H3 ) 5.0 1.0 1.0
assign (resid 4 and name H1) ( resid 12 and name H42 ) 2.5 0.5 0.5
assign (resid 4 and name H1) ( resid 12 and name H41 ) 3.5 0.7 0.7
!corrected by el
assign (resid 4 and name H1) ( resid 11 and name H2) 5.0 1.0 1.0
!added by el
assign (resid 4 and name H1) ( resid 12 and name H5 ) 5.0 1.0 1.0
assign (resid 4 and name H1) ( resid 12 and name H1') 5.0 1.0 1.0
assign (resid 2 and name H1) ( resid 14 and name H42 ) 2.5 0.5 0.5
assign (resid 2 and name H1) ( resid 12 and name H41 ) 3.5 0.7 0.7
assign (resid 2 and name H1) ( resid 3 and name H2 ) 5.0 1.0 1.0
assign (resid 7 and name H3) ( resid 7 and name H1' ) 5.0 1.0 1.0
!amino
assign ( resid 15 and name H41) ( resid 14 and name H5 ) 3.0 0.6 0.6
!non-canonical first try
!assign (resid 11 and name H61) (resid 5 and name N1) 2.0 1.0 1.0
!assign (resid 11 and name N7) (resid 5 and name H61) 2.0 1.0 1.0
!non-canonical D7-A10 no evidence in experiment found, removed 19/06/2013
!A 10- D 7
!assign (resid 10 and name N1)
! (resid 7 and name N3)
! 2.95 0.2 0.2
!assign (resid 10 and name N6)
! (resid 7 and name O4)
! 2.83 0.2 0.2
!assign (resid 10 and name N1)
! (resid 7 and name H3)
! 1.93 0.2 0.2
!assign (resid 10 and name H61)
! (resid 7 and name O4)
! 1.82 0.2 0.2
!non-canonical G6-A11 no evidence in experiment found, removed 19/06/2013
!assign (resid 11 and name N1)
! (resid 6 and name N1)
! 2.95 0.2 0.2
!additional restrains from ADE:H2, added by el
assign (resid 11 and name H2) ( resid 12 and name H1' ) 5.0 1.0 1.0
assign (resid 10 and name H2) ( resid 11 and name H1' ) 5.0 1.0 1.0
end
set message=on echo=on end
set message=off echo=off end
restraints
dihedral